UCSF

ZINC44678985

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 21 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.06 2.85 -44.34 3 5 1 71 311.427 5
Hi High (pH 8-9.5) 1.06 2.59 -37.59 2 5 0 73 310.419 5
Hi High (pH 8-9.5) 1.06 0.46 -9.62 2 5 0 70 310.419 5

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )